2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride

C15H24Cl2N2O3S — CID 120896104

IUPAC2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(C)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-14(13(16)9-12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyJFYCDOGCLIATBP-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride

2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 120896104) has the molecular formula C15H24Cl2N2O3S and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
PubChem CID120896104
Molecular FormulaC15H24Cl2N2O3S
Molecular Weight383.34 g/mol
Exact Mass382.09
IUPAC Name2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(C)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-14(13(16)9-12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyJFYCDOGCLIATBP-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 120896162
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride (CID 120896104) is 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(C)cc2Cl)CCNCC1.Cl.
What is the InChIKey of 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is JFYCDOGCLIATBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-14(13(16)9-12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride?
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 383.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).